3-[(4-nitrophenyl)methylsulfanyl]-5-propan-2-yl-1H-1,2,4-triazole

Systemtic Name: 3-[(4-nitrophenyl)methylsulfanyl]-5-propan-2-yl-1H-1,2,4-triazole Openeye Name: 5-isopropyl-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 3-[(4-nitrophenyl)methylthio]-5-propan-2-yl-1H-1,2,4-triazole IUPAC Name: 3-[(4-nitrophenyl)methylsulfanyl]-5-propan-2-yl-1H-1,2,4-triazole Traditional Name: 5-isopropyl-3-[(4-nitrobenzyl)thio]-1H-1,2,4-triazole Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O2S/c1-8(2)11-13-12(15-14-11)19-7-9-3-5-10(6-4-9)16(17)18/h3-6,8H,7H2,1-2H3,(H,13,14,15)